SCHEMBL25754934

SCHEMBL25754934

COc1cccc(-c2ncc(C(=O)O)[nH]2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.63
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NPY5R Q15761 1/20 0.52
DGAT2 Q96PD7 1/20 0.52
HPGD P15428 1/20 0.49
PARP1 P09874 1/20 0.48
GRK6 P43250 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AURKA O14965 1/20 0.47
EGLN1 Q9GZT9 1/20 0.46
PLK1 P53350 1/20 0.46
SCN2A Q99250 1/20 0.46
SLC9A1 P19634 1/20 0.46
DHODH Q02127 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23846993 0.82 PIN1 (0.66) PIN1ALDH1A1KDM4EHPGDMAPT
SCHEMBL3057838 0.78 PIN1 (1.00) PIN1NPY5RSCN2A
SCHEMBL23846978 0.78 PIN1 (0.69) PIN1NPY5RPARP1EGLN1SCN2A
SCHEMBL23736190 0.78 NPY5R (0.58) PIN1ALDH1A1KDM4ENPY5RAURKA
SCHEMBL14286642 0.78 CCR1 (0.51) PIN1KDM4EDGAT2SMN1; SMN2
SCHEMBL28939219 0.77 ALPL (0.59) PIN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11632465 0.76 KDM4E (0.71) PIN1ALDH1A1KDM4ENPY5RPARP1
SCHEMBL23846991 0.76 NPY5R (0.53) PIN1ALDH1A1KDM4ENPY5RPARP1
SCHEMBL15331846 0.76 NPY5R (0.53) PIN1ALDH1A1KDM4ENPY5RPARP1
SCHEMBL21686768 0.75 KDM4E (0.53) PIN1ALDH1A1KDM4EHPGDMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 US disclosed
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, TP53BP1 PIN1 3482/4885ALDH1A1 2569/4885KDM4E 4448/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.